General Information of the Compound
| Compound ID |
CP0192973
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| Compound Name |
N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-4-(pyrrolidin-1-ylmethyl)aniline
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| Structure |
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| Formula |
C25H30N4O
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| Molecular Weight |
402.542
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| Canonical SMILES |
COc1ccc(cc1)-c1ccc(CCCNc2ccc(CN3CCCC3)cc2)nn1
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| InChI |
InChI=1S/C25H30N4O/c1-30-24-13-8-21(9-14-24)25-15-12-23(27-28-25)5-4-16-26-22-10-6-20(7-11-22)19-29-17-2-3-18-29/h6-15,26H,2-5,16-19H2,1H3
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| InChIKey |
HHCFMFBXBGMIMS-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound